Fragmentation channels of non-fullerene cationic carbon clusters

Phys Chem Chem Phys. 2023 Nov 22;25(45):31118-31124. doi: 10.1039/d3cp03930g.

Abstract

The unimolecular fragmentation channels of highly excited small cationic carbon clusters have been measured with a time-of-flight mass spectrometer after photofragmentation. The dominant channel is loss of the neutral trimer, for all CN+N = 10-27 clusters except for N = 11, 12 which decay by monomer emission, and C25+ which shows competing loss of C2 and C3. The results permit to quantify the role of the rotational entropy in the competition between monomer and trimer decays with the help of energies calculated with density functional theory.